Geometry & MOs

Info

ID:	415252
PubChem CID:	135088244
Reduced:	OSN3C19H27 (1)
Stoich.:	ABC3D19E27 (1)
Weight, g/mol:	265.150036
ΔH_f, kcal/mol:	-12.05
Dipole, Da:	5.81
IP(EA), eV:	-8.86(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6aS)-5-[methyl-[(5-methylthiophen-2-yl)methyl]amino]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-ol

Drug info:

PubChemData

Smile

CCCCC1=NC=C(N1)CN2CCC3(CC2)C4=C(CCO3)SC=C4

DOS

IR

Vibrations